(E)-3-(3-chlorophenyl)-N-(2-indol-1-ylethyl)prop-2-enamide

C19H17ClN2O — CID 108750521

IUPAC(E)-3-(3-chlorophenyl)-N-(2-indol-1-ylethyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(Cl)c1)NCCn1ccc2ccccc21
InChIInChI=1S/C19H17ClN2O/c20-17-6-3-4-15(14-17)8-9-19(23)21-11-13-22-12-10-16-5-1-2-7-18(16)22/h1-10,12,14H,11,13H2,(H,21,23)/b9-8+
InChIKeyMIGVXWMOHILBDP-CMDGGOBGSA-N
MW324.81 g/mol
LogP4.12
Rot. Bonds5

About (E)-3-(3-chlorophenyl)-N-(2-indol-1-ylethyl)prop-2-enamide

(E)-3-(3-chlorophenyl)-N-(2-indol-1-ylethyl)prop-2-enamide (PubChem CID 108750521) has the molecular formula C19H17ClN2O and a molecular weight of 324.81 g/mol. Its IUPAC name is (E)-3-(3-chlorophenyl)-N-(2-indol-1-ylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-chlorophenyl)-N-(2-indol-1-ylethyl)prop-2-enamide
PubChem CID108750521
Molecular FormulaC19H17ClN2O
Molecular Weight324.81 g/mol
Exact Mass324.10
IUPAC Name(E)-3-(3-chlorophenyl)-N-(2-indol-1-ylethyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(Cl)c1)NCCn1ccc2ccccc21
InChIInChI=1S/C19H17ClN2O/c20-17-6-3-4-15(14-17)8-9-19(23)21-11-13-22-12-10-16-5-1-2-7-18(16)22/h1-10,12,14H,11,13H2,(H,21,23)/b9-8+
InChIKeyMIGVXWMOHILBDP-CMDGGOBGSA-N
XLogP4.12
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2,4-dichlorophenyl)-N-(2-indol-1-ylethyl)prop-2-enamide
CID 108750525
(E)-N-(2-indol-1-ylethyl)but-2-enamide
CID 108750473
(E)-3-(3-chlorophenyl)-N-[7-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]heptyl]prop-2-enamide
CID 6167041
(E)-3-(3-chlorophenyl)-N-(2-piperidin-1-ylethyl)prop-2-enamide
CID 47209384
3-(3-chlorophenyl)-N-[3-[4-[3-[3-(3-chlorophenyl)prop-2-enoylamino]propyl]piperazin-1-yl]propyl]prop-2-enamide
CID 3586028
4-[3-(3-chlorophenyl)prop-2-enoylamino]butanoic acid
CID 74868291
(E)-3-(3-chlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide
CID 9482873
(E)-3-(3-chlorophenyl)-N-(2-chloroprop-2-enyl)prop-2-enamide
CID 115636575
2-[2-[3-(3-chlorophenyl)prop-2-enoylamino]ethoxy]acetic acid
CID 79457995
3-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]prop-2-enamide
CID 896013
3-chloro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide
CID 108571411
(E)-3-(3-chlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide
CID 43418514

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chlorophenyl)-N-(2-indol-1-ylethyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-chlorophenyl)-N-(2-indol-1-ylethyl)prop-2-enamide (CID 108750521) is (E)-3-(3-chlorophenyl)-N-(2-indol-1-ylethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-chlorophenyl)-N-(2-indol-1-ylethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-chlorophenyl)-N-(2-indol-1-ylethyl)prop-2-enamide is O=C(/C=C/c1cccc(Cl)c1)NCCn1ccc2ccccc21.
What is the InChIKey of (E)-3-(3-chlorophenyl)-N-(2-indol-1-ylethyl)prop-2-enamide?
The InChIKey is MIGVXWMOHILBDP-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H17ClN2O/c20-17-6-3-4-15(14-17)8-9-19(23)21-11-13-22-12-10-16-5-1-2-7-18(16)22/h1-10,12,14H,11,13H2,(H,21,23)/b9-8+.
What are the key properties of (E)-3-(3-chlorophenyl)-N-(2-indol-1-ylethyl)prop-2-enamide?
(E)-3-(3-chlorophenyl)-N-(2-indol-1-ylethyl)prop-2-enamide has a molecular weight of 324.81 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-chlorophenyl)-N-(2-indol-1-ylethyl)prop-2-enamide is sourced from PubChem (CID 108750521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).